ethyl 1-[3-(3-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(3-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(3-isopropylphenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(3-propan-2-ylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(3-isopropylphenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C20H31NO3/c1-4-23-20(22)17-9-12-21(13-10-17)11-6-14-24-19-8-5-7-18(15-19)16(2)3/h5,7-8,15-17H,4,6,9-14H2,1-3H3/p+1